SCHEMBL29697799

SCHEMBL29697799

Cc1cc2c(cc1C)-c1ccccc1[SH](C)(=O)N2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29697793 0.82 GPR3 (0.32) —
SCHEMBL15220201 0.65 CDC25B (0.36) KDM4EALDH1A1MEN1KMT2A
SCHEMBL29697786 0.64 POLB (0.36) KDM4EALDH1A1HSD17B10
SCHEMBL29697796 0.59 HTT (0.31) KDM4E
SCHEMBL56435 0.59 ELANE (0.67) KDM4EALDH1A1MEN1KMT2A
SCHEMBL13984616 0.58 TNKS2 (0.38) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL8507659 0.57 CSNK1G1 (0.72) MEN1KMT2A
SCHEMBL25406079 0.56 — —
SCHEMBL9269288 0.56 ELANE (0.61) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL24673413 0.56 MEN1 (0.38) ALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110698431-B Synthetic method of 1, 2-benzothiazine compound 陕西师范大学 2022-07-01 — — CN disclosed
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